3-[2-nitro-4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-nitro-4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-nitro-phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-nitro-4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenyl]thio]propanoic acid IUPAC Name: 3-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-nitrophenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-nitro-phenyl]thio]propionic acid Formula: C30H23NO5S MolecularWeight: 509.57232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC(=C(C=C5)SCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC(=C(C=C5)SCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C30H23NO5S/c32-29(33)16-17-37-28-15-14-23(19-25(28)31(34)35)21-10-12-22(13-11-21)30-24-8-4-5-9-26(24)36-27(30)18-20-6-2-1-3-7-20/h1-15,19H,16-18H2,(H,32,33)